General Information of the Compound
| Compound ID |
CP0501364
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| Compound Name |
N,N-dimethyl-1-[2-[2-[(2,4,6-trimethylphenoxy)methyl]-1-benzothiophen-3-yl]ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C27H36N2OS
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| Molecular Weight |
436.665
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| Canonical SMILES |
CN(C)C1CCN(CCc2c(COc3c(C)cc(C)cc3C)sc3ccccc23)CC1
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| InChI |
InChI=1S/C27H36N2OS/c1-19-16-20(2)27(21(3)17-19)30-18-26-24(23-8-6-7-9-25(23)31-26)12-15-29-13-10-22(11-14-29)28(4)5/h6-9,16-17,22H,10-15,18H2,1-5H3
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| InChIKey |
SYIKGKYYUZWGBL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound